A surface potential is derived which can be added to the Schrodinger equation for a limited region of space, I, to embed it into a substrate. This potential, which is energydependent and non-local, can be found from the Green function for the bulk substrate. The results are based on a variational principle which gives the energy of a state in terms of the wavefunction in I. The embedded Schrodinger equation can be solved by a basis set expansion, for the wavefunctions of discrete states and the Green function in the continuum, and the method is demonstrated for the case of a square well.
Perpendicular transport in disordered magnetic multilayers is studied by combining first-principles electronic-structure calculations with the Boltzmann equation. Resistor-model-type expressions for the multilayer resistance are derived and interface resistances are calculated without using any adjustable parameters. Experimentally observed interface resistances can be explained largely in terms of specular interface scattering and diffuse bulk scattering.
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